713524

Source:http://linkedlifedata.com/resource/chembl/compound/713524

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C16H14ClN3S/c1-10-3-8-14(11(2)9-10)20-15(18-19-16(20)21)12-4-6-13(17)7-5-12/h3-9H,1-2H3,(H,19,21)
chemicalCompound:standardIn...	GVWFFULEODWIHN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(N2C(=S)NN=C2c3ccc(Cl)cc3)c(C)c1
chemicalCompound:molecularF...	C16H14ClN3S
chemicalCompound:moleculeId	713524
chemicalCompound:mwFreebase	315.82
chemicalCompound:alogp	5.315
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	59.72
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.004
chemicalCompound:acdLogP	4.686
chemicalCompound:acdLogD	2.831
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	315.82
chemicalCompound:acdMostBpk...	2.856
chemicalCompound:chemblId	CHEMBL1277546
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:813524
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3554205, activity:3554223, activity:3554236, activity:3794192, activity:3910259, activity:4094725, activity:4243437, activity:4280438, activity:4429403, activity:4679980, activity:4779062, activity:5369466, activity:5498817, activity:5626686, activity:5748818, activity:6681096